2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

C16H14ClN5OS2 — CID 2339452

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H14ClN5OS2/c17-10-5-7-11(8-6-10)25-13-4-2-1-3-12(13)19-14(23)9-24-16-20-15(18)21-22-16/h1-8H,9H2,(H,19,23)(H3,18,20,21,22)
InChIKeyKZFDZCIQEBDPCT-UHFFFAOYSA-N
MW391.91 g/mol
LogP3.92
Rot. Bonds6

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 2339452) has the molecular formula C16H14ClN5OS2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID2339452
Molecular FormulaC16H14ClN5OS2
Molecular Weight391.91 g/mol
Exact Mass391.03
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H14ClN5OS2/c17-10-5-7-11(8-6-10)25-13-4-2-1-3-12(13)19-14(23)9-24-16-20-15(18)21-22-16/h1-8H,9H2,(H,19,23)(H3,18,20,21,22)
InChIKeyKZFDZCIQEBDPCT-UHFFFAOYSA-N
XLogP3.92
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 5102802
N-(2-phenylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343419
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4272280
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2366062
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 5042765
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 852258
2-[(5-amino-4H-1,2,4-triazol-3-yl)thio]-N-(4-chlorophenyl)acetamide
CID 2380757
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 2662031
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 4041383
1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
CID 1119538
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 4620749
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 7704409

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (CID 2339452) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is Nc1nc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is KZFDZCIQEBDPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS2/c17-10-5-7-11(8-6-10)25-13-4-2-1-3-12(13)19-14(23)9-24-16-20-15(18)21-22-16/h1-8H,9H2,(H,19,23)(H3,18,20,21,22).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 391.91 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 2339452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).